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1363166-45-3 | Carbamic acid, N-[3-(4-bromophenyl)cyclobutyl]-, 1,1-dimethylethyl ester
CAS No: 1363166-45-3 Catalog No: AG0011MD MDL No:MFCD21364424
Product Description
Catalog Number:
AG0011MD
Chemical Name:
Carbamic acid, N-[3-(4-bromophenyl)cyclobutyl]-, 1,1-dimethylethyl ester
CAS Number:
1363166-45-3
Molecular Formula:
C15H20BrNO2
Molecular Weight:
326.2288
MDL Number:
MFCD21364424
IUPAC Name:
tert-butyl N-[3-(4-bromophenyl)cyclobutyl]carbamate
InChI:
InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-13-8-11(9-13)10-4-6-12(16)7-5-10/h4-7,11,13H,8-9H2,1-3H3,(H,17,18)
InChI Key:
QNAOUEYTGWGKAV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC(C1)c1ccc(cc1)Br
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.234g/mol
Monoisotopic Mass:
325.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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